2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethyl-, (6R,7R)-rel-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    127459-79-4

    Molecular formula
    C18H26O

    SMILES
    C[C@@H]1[C@H](C(C2=C(C1(C)C)C=C(C(=C2)C=O)C)(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 64.85%
    Musk 58.55%
    Woody 50.67%
    Dry 45.0%
    Powdery 43.72%
    Amber 41.97%
    Fruity 35.19%
    Herbal 33.51%
    Spicy 32.9%
    Tobacco 29.41%

     

    Flavor
    Woody 67.36%
    Camphor 49.97%
    Herbal 38.37%
    Pine 28.83%
    Phenolic 28.59%
    Bitter 27.22%
    Wood 24.79%
    Medicinal 23.86%
    Spicy 23.37%
    Musty 23.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    6.68 (neutral)

    Molecular weight
    258.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 139.77 ˚C est.

  • Synonyms

    • 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethyl-, (6R,7R)-rel-
    • 127459-79-4
    • DTXSID90888930
    • RefChem:476391
    • DTXCID601028201
    • rel-(6R,7R)-5,6,7,8-Tetrahydro-3,5,5,6,7,8,8-heptamethyl-2-naphthalenecarboxaldehyde
    • (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde
    • SCHEMBL5611209
    • SCHEMBL30754351
    • ZIASQZKMMDNGSU-CHWSQXEVSA-N
    • (6R,7R)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
    • 127459-79-4

  • Applications

    Often used as a chiral building block and intermediate in the synthesis of fragrance compounds, 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethyl-, (6R,7R)-rel- finds applications in perfumery and cosmetics as an aroma precursor or component; it may be evaluated as an aroma intermediate in flavor chemistry; it can serve as an odorant in household cleaning and air-freshening products; in industrial manufacturing it is used as a starting material for the preparation of other specialty chemicals and aroma-related intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.34
    methanol 175.9
    isopropanol 157.12
    water 0.37
    ethyl acetate 872.59
    n-propanol 288.49
    acetone 979.1
    n-butanol 202.42
    acetonitrile 690.13
    DMF 1856.42
    toluene 987.52
    isobutanol 191.2
    1,4-dioxane 1513.65
    methyl acetate 944.26
    THF 2943.71
    2-butanone 1159.38
    n-pentanol 117.32
    sec-butanol 180.36
    n-hexane 64.03
    ethylene glycol 29.36
    NMP 1690.79
    cyclohexane 146.67
    DMSO 670.27
    n-butyl acetate 599.08
    n-octanol 92.46
    chloroform 2426.1
    n-propyl acetate 453.3
    acetic acid 159.97
    dichloromethane 2698.28
    cyclohexanone 1724.23
    propylene glycol 48.2
    isopropyl acetate 508.4
    DMAc 1029.44
    2-ethoxyethanol 229.4
    isopentanol 165.63
    n-heptane 38.54
    ethyl formate 483.24
    1,2-dichloroethane 1887.04
    n-hexanol 215.05
    2-methoxyethanol 391.47
    isobutyl acetate 304.96
    tetrachloromethane 488.39
    n-pentyl acetate 394.5
    transcutol 591.85
    n-heptanol 120.66
    ethylbenzene 421.87
    MIBK 382.1
    2-propoxyethanol 454.61
    tert-butanol 208.35
    MTBE 441.74
    2-butoxyethanol 262.79
    propionic acid 287.7
    o-xylene 529.07
    formic acid 57.63
    diethyl ether 652.02
    m-xylene 548.09
    p-xylene 548.62
    chlorobenzene 1134.51
    dimethyl carbonate 482.62
    n-octane 19.49
    formamide 198.6
    cyclopentanone 2874.63
    2-pentanone 808.72
    anisole 689.6
    cyclopentyl methyl ether 1139.2
    gamma-butyrolactone 2575.42
    1-methoxy-2-propanol 331.08
    pyridine 1826.09
    3-pentanone 849.79
    furfural 1694.98
    n-dodecane 9.33
    diethylene glycol 205.9
    diisopropyl ether 197.84
    tert-amyl alcohol 194.85
    acetylacetone 863.07
    n-hexadecane 12.28
    acetophenone 622.91
    methyl propionate 852.44
    isopentyl acetate 489.89
    trichloroethylene 3485.63
    n-nonanol 89.04
    cyclohexanol 299.25
    benzyl alcohol 348.26
    2-ethylhexanol 151.25
    isooctanol 100.66
    dipropyl ether 291.79
    1,2-dichlorobenzene 986.82
    ethyl lactate 175.8
    propylene carbonate 959.61
    n-methylformamide 783.96
    2-pentanol 136.26
    n-pentane 57.69
    1-propoxy-2-propanol 308.3
    1-methoxy-2-propyl acetate 608.66
    2-(2-methoxypropoxy) propanol 199.91
    mesitylene 324.81
    ε-caprolactone 1207.58
    p-cymene 204.78
    epichlorohydrin 2720.55
    1,1,1-trichloroethane 1629.04
    2-aminoethanol 85.1
    morpholine-4-carbaldehyde 1464.53
    sulfolane 2002.33
    2,2,4-trimethylpentane 29.49
    2-methyltetrahydrofuran 1657.23
    n-hexyl acetate 427.25
    isooctane 24.54
    2-(2-butoxyethoxy)ethanol 257.4
    sec-butyl acetate 325.4
    tert-butyl acetate 532.18
    decalin 72.48
    glycerin 63.24
    diglyme 691.89
    acrylic acid 252.51
    isopropyl myristate 151.0
    n-butyric acid 343.79
    acetyl acetate 515.5
    di(2-ethylhexyl) phthalate 141.72
    ethyl propionate 486.16
    nitromethane 905.73
    1,2-diethoxyethane 384.06
    benzonitrile 689.84
    trioctyl phosphate 101.8
    1-bromopropane 841.33
    gamma-valerolactone 2618.25
    n-decanol 60.82
    triethyl phosphate 202.77
    4-methyl-2-pentanol 93.11
    propionitrile 678.3
    vinylene carbonate 930.38
    1,1,2-trichlorotrifluoroethane 770.26
    DMS 606.11
    cumene 243.27
    2-octanol 88.0
    2-hexanone 432.24
    octyl acetate 189.77
    limonene 239.88
    1,2-dimethoxyethane 689.19
    ethyl orthosilicate 189.73
    tributyl phosphate 124.97
    diacetone alcohol 384.0
    N,N-dimethylaniline 432.53
    acrylonitrile 857.95
    aniline 664.14
    1,3-propanediol 129.89
    bromobenzene 1361.41
    dibromomethane 1568.51
    1,1,2,2-tetrachloroethane 2094.09
    2-methyl-cyclohexyl acetate 355.07
    tetrabutyl urea 163.97
    diisobutyl methanol 101.25
    2-phenylethanol 422.18
    styrene 490.57
    dioctyl adipate 211.67
    dimethyl sulfate 723.12
    ethyl butyrate 412.87
    methyl lactate 231.4
    butyl lactate 225.65
    diethyl carbonate 287.47
    propanediol butyl ether 178.76
    triethyl orthoformate 275.29
    p-tert-butyltoluene 207.09
    methyl 4-tert-butylbenzoate 392.82
    morpholine 1625.38
    tert-butylamine 150.72
    n-dodecanol 43.02
    dimethoxymethane 970.23
    ethylene carbonate 733.29
    cyrene 367.9
    2-ethoxyethyl acetate 565.8
    2-ethylhexyl acetate 429.11
    1,2,4-trichlorobenzene 1079.27
    4-methylpyridine 1780.58
    dibutyl ether 175.43
    2,6-dimethyl-4-heptanol 101.25
    DEF 887.2
    dimethyl isosorbide 669.33
    tetrachloroethylene 1268.96
    eugenol 340.96
    triacetin 389.22
    span 80 195.97
    1,4-butanediol 51.85
    1,1-dichloroethane 1500.6
    2-methyl-1-pentanol 117.06
    methyl formate 641.77
    2-methyl-1-butanol 168.58
    n-decane 20.98
    butyronitrile 519.7
    3,7-dimethyl-1-octanol 93.24
    1-chlorooctane 122.82
    1-chlorotetradecane 38.91
    n-nonane 20.75
    undecane 13.48
    tert-butylcyclohexane 61.35
    cyclooctane 55.14
    cyclopentanol 418.94
    tetrahydropyran 1649.97
    tert-amyl methyl ether 330.69
    2,5,8-trioxanonane 365.38
    1-hexene 203.85
    2-isopropoxyethanol 182.66
    2,2,2-trifluoroethanol 139.07
    methyl butyrate 539.86

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction